In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 32 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.85 | 12.64 | -55.4 | 1 | 6 | 0 | 74 | 436.552 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 12.46 | -45.86 | 1 | 6 | 1 | 68 | 437.56 | 9 | ↓ |